5622-0068 Screening compound: 3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid

5622-0068 Screening compound: 3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid
5622-0068 Screening compound: 3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5622-0068
3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5622-0068

Molecular Formula

C15H14N2O6 (C15 H14 N2 O6)

Compound Name

3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid

IUPAC name

3-[(2Z)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]propanoic acid

SMILES

OC(CCNC(/C(/NC(c1ccco1)=O)=C/c1ccco1)=O)=O

InChI

InChI=1S/C15H14N2O6/c18-13(19)5-6-16-14(20)11(9-10-3-1-7-22-10)17-15(21)12-4-2-8-23-12/h1-4,7-9H,5-6H2,(H,16,20)(H,17,21)(H,18,19)

InChI Key

LQYBBCQUTUGQDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.069

Distribution Coefficient, logD

-2.765

Water Solubility, LogSw

-1.48

Polar Surface Area

91.400

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5622-0068 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5622-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5622-0068?
Check Price and Availability of 5622-0068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5622-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5622-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5622-0068
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5622-0068 available by request